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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-753804
  • Created at: Sept. 4, 2022, 3:28 p.m.
  • Last updated at: Sept. 4, 2022, 3:28 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Ac', 'Ti']
  • Chemical System: Ac-Ti
  • Density: 7.260803313352615
  • Atomic Density: 0.031815808808474254
  • Unit Cell Volume: 754.3419733402319
  • Molar Volume: 18.92813976929602
  • Full Formula: Ac12 Ti12
  • Reduced Formula: AcTi
  • Formula Anonymous: AB
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm